1-Ethylpiperazine

Base Information

• Chemical Name: 1-Ethylpiperazine
• CAS No.: 5308-25-8
• Molecular Formula: C6H14 N2
• Molecular Weight: 114.191
• Hs Code.: 29335995
• European Community (EC) Number: 226-166-6
• NSC Number: 60707
• UNII: 6W2BW0V73G
• DSSTox Substance ID: DTXSID8073346
• Nikkaji Number: J208.490B
• Wikidata: Q27265616
• Mol file: 5308-25-8.mol

Synonyms:1-Ethylpiperazine;5308-25-8;N-Ethylpiperazine;Piperazine, 1-ethyl-;N-ethyl piperazine;1-ethyl-piperazine;ethyl piperazine;EINECS 226-166-6;UNII-6W2BW0V73G;6W2BW0V73G;1-ethylpiperazin;MFCD00059912;NSC-60707;EC 226-166-6;ethylpiperazine;ethypiperazine;1-ethypiperazine;N-ethylpiperizine;1-ethlypiperazine;1-ethylpiperizine;4-ethylpiperazine;N-ethyl-piperazin;N-ethyl-piperazine;1-ethyl piperazine;N-Ethyl piperazine(NEP);1-Ethylpiperazine, 98%;SCHEMBL5943;1-Ethyl-2,5-dihydropiperazine;DTXSID8073346;N-ETHYLPIPERAZINE [USP-RS];NSC60707;NSC 60707;STL168346;AKOS000119093;AM81362;SB11216;TS-01586;LS-112626;A7732;CS-0007808;E0355;FT-0652510;EN300-19078;P17082;W-105771;Q27265616;F2190-0342;Z104472630;N-Ethylpiperazine, United States Pharmacopeia (USP) Reference Standard

Chemical Property of 1-Ethylpiperazine

Chemical Property:

• Appearance/Colour: clear colorless to yellow liquid
• Vapor Pressure: 2.96mmHg at 25°C
• Melting Point: -60 °C
• Refractive Index: n20/D 1.469(lit.)
• Boiling Point: 156 °C at 760 mmHg
• PKA: 9.27±0.10(Predicted)
• Flash Point: 53 °C
• PSA: 15.27000
• Density: 0.895 g/cm³
• LogP: 0.17820
• Storage Temp.: Flammables area
• Sensitive.: Air Sensitive
• Solubility.: soluble
• Water Solubility.: soluble
• XLogP3: 0
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 114.115698455
• Heavy Atom Count: 8
• Complexity: 57.5

Purity/Quality:

99% ^*data from raw suppliers

N-Ethylpiperazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Hazard
• Statements: 36/37/38-10
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1CCNCC1
• Description: 1-Ethylpiperazine belongs to the category of organic compounds, specifically piperazines. 1-Ethylpiperazine consists of a piperazine ring with an ethyl substituent.
• Uses: 1-Ethylpiperazine is utilized in organic synthesis processes to produce various compounds, including pharmaceutical intermediates such as 2-(2-methoxy-5-((4-methylpiperazin-1-yl)sulfonyl)phenyl)-1H-benzo[d]imidazole hydrochloride and 2-(5-((4-ethylpiperazin-1-yl)sulfonyl)-2-methoxyphenyl)-1H-benzo[d]imidazole hydrochloride.
• Production Methods: 1-Ethylpiperazine is synthesized through various chemical reactions, including electrochemical fluorination and tertiary to secondary reduction of aminomethylphosphane.
• References: [1] Chalcogenides of the aminomethylphosphines derived from 1-methylpiperazine, 1-ethylpiperazine and morpholine: NMR, DFT and structural studies for determination of electronic and steric properties of the phosphines; DOI 10.1039/C0DT00037J; [2] Tertiary to secondary reduction of aminomethylphosphane derived from 1-ethylpiperazine as a result of its coordination to ruthenium(II) centre – The first insight into the nature of process; DOI 10.1016/j.molstruc.2016.05.053; [3] Electrochemical fluorination of 1-ethylpiperazine and 4-methyl- and/or 4-ethylpiperazinyl substituted carboxylic acid methyl esters; DOI 10.1016/S0022-1139(00)00397-3

Technology Process of 1-Ethylpiperazine

There total 28 articles about 1-Ethylpiperazine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 94.0%

C11H22N2O2 (669050-80-0) → 4-ethylpiperazine (5308-25-8)

Guidance literature:

With trifluoroacetic acid; at 20 ℃; for 0.0833333h;

DOI:10.1016/j.bmc.2016.06.010

Reference yield: 55.0%

piperazine (110-85-0) + chloroethane (75-00-3) → 4-ethylpiperazine (5308-25-8) + 1,4-diethylpiperazine (6483-50-7)

Guidance literature:

Reference yield:

2-hydroxy-1-(piperazin-1-yl)ethanone → 4-ethylpiperazine (5308-25-8) + 1-(2-hydroxyethyl)piperazine (103-76-4)

Guidance literature:

With hydrogen; In toluene; at 200 ℃; under 37503.8 Torr; Solvent; Reagent/catalyst; Temperature; Pressure; Autoclave; Sealed tube;

upstream raw materials:

4-ethyl-1-formylpiperazine

ethyl bromide

piperazine hydrochloride

4-ethyl-piperazine-1-carboxylic acid ethyl ester

Downstream raw materials:

(+/-)(1Ξ)-trans-2-[(Ξ)-α-(4-ethyl-piperazino)-benzyl]-cyclohexanol

(+/-)(1Ξ)-cis-2-[(Ξ)-α-(4-ethyl-piperazino)-benzyl]-cyclohexanol

1-ethyl-4-(4-chloro-benzhydryl)-piperazine

1-ethyl-4-(cyclohexyl-phenyl-methyl)-piperazine

Refernces

• 1、 -. "Synthesis method for co-production of N-hydroxyethyl piperazine and N-ethyl piperazine". Paragraph 0008; 0029-0087. . Retrieved 2021/03/11.
• 2、 Chandrika, Nishad Thamban,Shrestha, Sanjib K.,Ngo, Huy X.,Garneau-Tsodikova, Sylvie. "Synthesis and investigation of novel benzimidazole derivatives as antifungal agents". supporting information. p. 3680 - 3686. Retrieved 2016/07/20.